N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

C26H25FN4O3 — CID 55457399

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C26H25FN4O3/c1-2-30(17-25(32)28-15-19-9-11-21(27)12-10-19)26(33)20-6-5-7-23(14-20)34-18-22-16-31-13-4-3-8-24(31)29-22/h3-14,16H,2,15,17-18H2,1H3,(H,28,32)
InChIKeyZXTXSHSSOMOLLW-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.83
Rot. Bonds9

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (PubChem CID 55457399) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
PubChem CID55457399
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C26H25FN4O3/c1-2-30(17-25(32)28-15-19-9-11-21(27)12-10-19)26(33)20-6-5-7-23(14-20)34-18-22-16-31-13-4-3-8-24(31)29-22/h3-14,16H,2,15,17-18H2,1H3,(H,28,32)
InChIKeyZXTXSHSSOMOLLW-UHFFFAOYSA-N
XLogP3.83
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770583
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 55457489
N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55576832
tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate
CID 52842387
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55858764
4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56584450
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
N-[(4-fluorophenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55512005
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119824790
4-(diethylaminomethyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530632

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (CID 55457399) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The InChIKey is ZXTXSHSSOMOLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-2-30(17-25(32)28-15-19-9-11-21(27)12-10-19)26(33)20-6-5-7-23(14-20)34-18-22-16-31-13-4-3-8-24(31)29-22/h3-14,16H,2,15,17-18H2,1H3,(H,28,32).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide has a molecular weight of 460.51 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 55457399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).